SCHEMBL6422330

SCHEMBL6422330

Cc1cc(C)[n+]([O-])c(NCCCOc2ccc3c(c2)CN(C)C(=O)C(CC(=O)O)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.64
ITGAV P06756 8/20 0.64
ITGA2B P08514 6/20 0.64
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43
PPARD Q03181 11/20 0.38
PPARA Q07869 3/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6423446 0.85 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420565 0.83 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420572 0.83 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419007 0.82 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6794247 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418536 0.79 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418541 0.79 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL328727 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418681 0.78 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420073 0.77 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.